lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide

C10H13FLiN — CID 134966127

IUPAClithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide
SMILESCC(C)(C)Cc1c[c-]c(F)nc1.[Li+]
InChIInChI=1S/C10H13FN.Li/c1-10(2,3)6-8-4-5-9(11)12-7-8;/h4,7H,6H2,1-3H3;/q-1;+1
InChIKeyPVMCLECVDAQXRC-UHFFFAOYSA-N
MW173.16 g/mol
LogP-0.39
Rot. Bonds1

About lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide

lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide (PubChem CID 134966127) has the molecular formula C10H13FLiN and a molecular weight of 173.16 g/mol. Its IUPAC name is lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide.

Molecular Properties

Compound Namelithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide
PubChem CID134966127
Molecular FormulaC10H13FLiN
Molecular Weight173.16 g/mol
Exact Mass173.12
IUPAC Namelithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide
SMILESCC(C)(C)Cc1c[c-]c(F)nc1.[Li+]
InChIInChI=1S/C10H13FN.Li/c1-10(2,3)6-8-4-5-9(11)12-7-8;/h4,7H,6H2,1-3H3;/q-1;+1
InChIKeyPVMCLECVDAQXRC-UHFFFAOYSA-N
XLogP-0.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

5-tert-butyl-2H-pyridin-2-ide;rutherfordium
CID 59879073
5-(2,2-dimethylpropyl)-3H-pyridin-3-ide;rhenium
CID 155738230

Frequently Asked Questions

What is the IUPAC name of lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide?
The IUPAC name of lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide (CID 134966127) is lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide.
What is the SMILES notation for lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide?
The canonical SMILES for lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide is CC(C)(C)Cc1c[c-]c(F)nc1.[Li+].
What is the InChIKey of lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide?
The InChIKey is PVMCLECVDAQXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN.Li/c1-10(2,3)6-8-4-5-9(11)12-7-8;/h4,7H,6H2,1-3H3;/q-1;+1.
What are the key properties of lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide?
lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide has a molecular weight of 173.16 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(2,2-dimethylpropyl)-2-fluoro-3H-pyridin-3-ide is sourced from PubChem (CID 134966127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).